335719 <common-name>2-[bis(2-chloroethyl)aminomethyl]-4-methylidene-1,5-diphenylpentane-1,5-dione</common-name> <description>2-[bis(2-chloroethyl)aminomethyl]-4-methylidene-1,5-diphenylpentane-1,5-dione is a chemical compound with the formula C23H25Cl2NO2. It has an average molecular weight of 418.40 g/mol.</description> <cas nil="true"/> <pubchem-id>3021732</pubchem-id> <chemical-formula>C23H25Cl2NO2</chemical-formula> <weight>418.4</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T17:57:08Z</created-at> <updated-at type="dateTime">2026-08-30T17:57:08Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>C=C(CC(CN(CCCl)CCCl)C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2</moldb-smiles> <moldb-formula>C23H25Cl2NO2</moldb-formula> <moldb-inchi>InChI=1S/C23H25Cl2NO2/c1-18(22(27)19-8-4-2-5-9-19)16-21(17-26(14-12-24)15-13-25)23(28)20-10-6-3-7-11-20/h2-11,21H,1,12-17H2</moldb-inchi> <moldb-inchikey>BYHSINFELGAWMW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">417.1262344</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM331612</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-[bis(2-chloroethyl)aminomethyl]-4-methylidene-1,5-diphenylpentane-1,5-dione</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0286188</sync-id> <structure-inchikey>BYHSINFELGAWMW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000080000000000000000000000000000000000000000a100000000000000000000000000000000024000100000000000000000000000000000000000000000000000000000000000020000000000000000000080000000000000000010000000000000000004000000000000010000000001000000000020800000000000000800004000000000000000000000100000000000020040000002000000000000000800200084000000000000000008000000000000000000000000000000000000000000000000000000010204000000000000200000000400000000000000000080044000000000400000001000000004000000000000000</structure-fingerprint> <structure-pattern-fingerprint>501000000512864081000940412820000000140081052000003100408200080c44020050108000000000410a008000000460002d408c32010020643000a04000c6110c00028004001092100000720200000405805101133240040422000048000c3005270048020020000400d5140000200080500121c0041118000002510002104000080ef0820808060250082c0008191c081244401482100008a000400080804310000890c00000000860017c27100ac000028941084010000a1008c00210009100840400002201c004001405028008000000020850000d0000000800020010004c10088100000008040150122000005000308042000e0000020052000002</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���h��������(�������`�������`�������`������� ������`�������`������� ������`�������`������� ������(�������(������@(������@h�������@h�������@h�������@h�������@h��������(�������(������@(������@h�������@h�������@h�������@h�������@h���������(����������������������� � � ������ (��� ��h���h���h���h���h��� ��(��� ��h���h���h���h���h���h���h�B����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:37:22Z</structure-indexed-at> </compound>